Parameter colvars

From: Z (shenzldlut_at_gmail.com)
Date: Mon Oct 06 2014 - 05:26:21 CDT

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Dear all,
I want to use ABF to calculate PMF,so I am running simulation with
colvars. However, the NAMD2.8 said :

TCL: Setting parameter colvars to on
FATAL ERROR: Setting parameter colvars from script failed!

FATAL ERROR: Setting parameter colvars from script failed!

my colvars flie :
colvarsTrajFrequency 100
colvarsRestartFrequency 1000

colvar {
name IonDistance

width 0.1

lowerboundary -45.6
upperboundary 45.6

lowerWallConstant 10.0
upperWallConstant 10.0

    distanceZ {
          main {
             atomsFile ./main_atom.pdb
             atomsCol B
             atomsColValue 1.0
          }
          ref {
          atomsFile ./ref_atom_2.pdb
          atomsCol O
          atomsColValue 1.0
          }
    }
}

abf {
    colvars IonDistance
    fullSamples 100
    hideJacobian
}

I want to know which parameter has problem?
Thanks!

P.S.
There are tclForces parameters in my conf flie.

-- 
Z
E-mail：shendlut_at_gmail.com

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